5-[(2S,3S,4S,5R)-6-[[(6aR,6bS,8aS,11S,14bS)-11-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]-1H-pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-[(2S,3S,4S,5R)-6-[[(6aR,6bS,8aS,11S,14bS)-11-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carbonyl]-1H-pyrimidine-2,4-dione
• 英文别名: 5-[(2S,3S,4S,5R)-6-[[(6aR,6bS,8aS,11S,14bS)-11-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carbonyl]-1H-pyrimidine-2,4-dione
• 化学式: C₄₄H₅₈N₄O₁₂
• 分子量: 834.9
• InChiKey: URNPIYUBBBGOAU-PHETZUAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  263
• 氢给体数：
  7
• 氢受体数：
  16